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

Systemtic Name: 6-azanyl-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]hexanamide Openeye Name: 6-amino-N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]hexanamide CAS Name: 6-amino-N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]hexanamide IUPAC Name: 6-amino-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]hexanamide Traditional Name: 6-amino-N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]hexanamide Formula: C30H34N6O3S MolecularWeight: 558.69436

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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)CCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C30H34N6O3S/c1-22-9-8-12-24(19-22)21-40-30-34-33-29(35(30)25-14-16-26(17-15-25)36(38)39)27(20-23-10-4-2-5-11-23)32-28(37)13-6-3-7-18-31/h2,4-5,8-12,14-17,19,27H,3,6-7,13,18,20-21,31H2,1H3,(H,32,37)