N-(2-chloranyl-4-nitro-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H19ClN6O3S MolecularWeight: 482.94266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5

InChI

InChI=1S/C22H19ClN6O3S/c1-12(21(30)25-19-9-8-14(29(31)32)10-17(19)23)33-22-27-26-20(28(22)13-6-7-13)16-11-24-18-5-3-2-4-15(16)18/h2-5,8-13,26H,6-7H2,1H3,(H,25,30)/b20-16-