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

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C22H20BrN5OS/c1-13(21(29)25-15-6-4-5-14(23)11-15)30-22-27-26-20(28(22)16-9-10-16)18-12-24-19-8-3-2-7-17(18)19/h2-8,11-13,16,26H,9-10H2,1H3,(H,25,29)/t13-/m0/s1