N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-indan-5-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-indan-5-yl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3S/c1-23-11-20-22-19(23)28-17-8-6-14(10-16(17)24(26)27)18(25)21-15-7-5-12-3-2-4-13(12)9-15/h5-11H,2-4H2,1H3,(H,21,25)