N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C26H22N6O3S/c1-31-16-29-30-26(31)36-24-12-11-18(13-23(24)32(34)35)25(33)28-14-20(17-7-3-2-4-8-17)21-15-27-22-10-6-5-9-19(21)22/h2-13,15-16,20,27H,14H2,1H3,(H,28,33)