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

Systemtic Name: (2S)-2-[[5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[[5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[[5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[[5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2S[C@@H](C)C(=O)NCC=C

InChI

InChI=1S/C23H23N5OS/c1-4-13-24-22(29)16(3)30-23-27-26-21(28(23)20-12-8-5-9-15(20)2)18-14-25-19-11-7-6-10-17(18)19/h4-12,14,16,26H,1,13H2,2-3H3,(H,24,29)/t16-/m0/s1