[3-nitro-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-nitro-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-nitro-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-pyrrolidino-methanone Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O3S/c32-25(29-15-7-8-16-29)20-13-14-23(22(18-20)31(33)34)35-26-28-27-24(17-19-9-3-1-4-10-19)30(26)21-11-5-2-6-12-21/h1-6,9-14,18H,7-8,15-17H2