N-(2-bromanyl-4-methyl-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H20BrN5OS MolecularWeight: 482.3961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5)Br

InChI

InChI=1S/C22H20BrN5OS/c1-13-6-9-19(17(23)10-13)25-20(29)12-30-22-27-26-21(28(22)14-7-8-14)16-11-24-18-5-3-2-4-15(16)18/h2-6,9-11,14,26H,7-8,12H2,1H3,(H,25,29)/b21-16-