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

Systemtic Name: [4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O3S/c1-26-21(14-16-8-4-2-5-9-16)24-25-23(26)31-20-13-12-18(15-19(20)27(29)30)22(28)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3