2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)ethanamide Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dichlorophenyl)acetamide Formula: C17H15Cl2N5OS MolecularWeight: 408.3049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N5OS/c18-13-7-6-12(9-14(13)19)21-16(25)10-26-17-23-22-15(24(17)20)8-11-4-2-1-3-5-11/h1-7,9H,8,10,20H2,(H,21,25)