(2S)-N-ethyl-2-[[5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[[5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-ethyl-2-[[5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-ethyl-2-[[5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[[5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-ethyl-2-[[5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=CC=C4C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=CC=C4C

InChI

InChI=1S/C22H23N5OS/c1-4-23-21(28)15(3)29-22-26-25-20(27(22)19-12-8-5-9-14(19)2)17-13-24-18-11-7-6-10-16(17)18/h5-13,15,25H,4H2,1-3H3,(H,23,28)/t15-/m0/s1