N-(4-dimethylaminophenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-15(19(27)22-17-9-11-18(12-10-17)25(2)3)29-21-24-23-20(28)26(21)14-13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,22,27)(H,23,28)