2-[[4-azanyl-5-[2,5-bis(chloranyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-[2,5-bis(chloranyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C20H18Cl2N6OS2 MolecularWeight: 493.43252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3N)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3N)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C20H18Cl2N6OS2/c1-10-2-4-12-14(8-23)19(31-16(12)6-10)25-17(29)9-30-20-27-26-18(28(20)24)13-7-11(21)3-5-15(13)22/h3,5,7,10H,2,4,6,9,24H2,1H3,(H,25,29)