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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)acetamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N6O2S/c1-26-15-7-5-13(6-8-15)17-22-23-18(24(17)20)27-11-16(25)21-14-4-2-3-12(9-14)10-19/h2-9H,11,20H2,1H3,(H,21,25)