N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]naphthalene-2-carboxamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]naphthalene-2-carboxamide CAS Name: N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-naphthalenecarboxamide IUPAC Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]naphthalene-2-carboxamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-naphthamide Formula: C35H29N5O3S MolecularWeight: 599.70146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H29N5O3S/c1-24-8-7-11-26(20-24)23-44-35-38-37-33(39(35)30-16-18-31(19-17-30)40(42)43)32(21-25-9-3-2-4-10-25)36-34(41)29-15-14-27-12-5-6-13-28(27)22-29/h2-20,22,32H,21,23H2,1H3,(H,36,41)