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

Systemtic Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]cyclobutanecarboxamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]cyclobutanecarboxamide CAS Name: N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]cyclobutanecarboxamide IUPAC Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]cyclobutanecarboxamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]cyclobutanecarboxamide Formula: C29H29N5O3S MolecularWeight: 527.63726

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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)C5CCC5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)C5CCC5

InChI

InChI=1S/C29H29N5O3S/c1-20-7-5-10-22(17-20)19-38-29-32-31-27(33(29)24-13-15-25(16-14-24)34(36)37)26(18-21-8-3-2-4-9-21)30-28(35)23-11-6-12-23/h2-5,7-10,13-17,23,26H,6,11-12,18-19H2,1H3,(H,30,35)