2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]propanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]propanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]propanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]propionamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=NN=C3SC)N

Isomeric SMILES

CC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=NN=C3SC)N

InChI

InChI=1S/C18H18N6O2S2/c1-10(24-17(20)22-23-18(24)27-3)15(25)21-16-13(8-19)14(9-28-16)11-4-6-12(26-2)7-5-11/h4-7,9-10H,1-3H3,(H2,20,22)(H,21,25)