4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S/c1-25-14-22-24-21(25)31-19-8-7-16(11-18(19)27(29)30)20(28)23-17-9-10-26(13-17)12-15-5-3-2-4-6-15/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,23,28)