N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCN3C=NC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCN3C=NC=N3)C

InChI

InChI=1S/C19H20N4OS/c1-14-3-6-18(11-15(14)2)25-17-7-4-16(5-8-17)22-19(24)9-10-23-13-20-12-21-23/h3-8,11-13H,9-10H2,1-2H3,(H,22,24)