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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyanophenyl)propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyanophenyl)propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-cyanophenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyanophenyl)propanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-cyanophenyl)propionamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18N6O2S/c1-12(18(26)22-15-7-3-13(11-20)4-8-15)28-19-24-23-17(25(19)21)14-5-9-16(27-2)10-6-14/h3-10,12H,21H2,1-2H3,(H,22,26)