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

Systemtic Name: (2S)-N-tert-butyl-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-tert-butyl-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-tert-butyl-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-tert-butyl-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C20H25N5OS/c1-12(18(26)22-20(2,3)4)27-19-24-23-17(25(19)13-9-10-13)15-11-21-16-8-6-5-7-14(15)16/h5-8,11-13,23H,9-10H2,1-4H3,(H,22,26)/t12-/m0/s1