N-[(4-dimethylaminophenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-[4-(dimethylamino)benzyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H25N5OS/c1-15-5-4-6-17(13-15)20-23-24-21(28)26(20)12-11-19(27)22-14-16-7-9-18(10-8-16)25(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,22,27)(H,24,28)