4-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=C(C=C(C=C5)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4S/c24-21(30)14-7-8-15(20(10-14)29(31)32)13-34-23-27-26-22(28(23)12-16-4-3-9-33-16)18-11-25-19-6-2-1-5-17(18)19/h1-2,5-8,10-11,16,26H,3-4,9,12-13H2,(H2,24,30)/b22-18-