N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C25H29N5O2S/c1-18-9-8-10-19(15-18)24(32)26-16-22-28-29-25(30(22)21-13-6-3-7-14-21)33-17-23(31)27-20-11-4-2-5-12-20/h3,6-10,13-15,20H,2,4-5,11-12,16-17H2,1H3,(H,26,32)(H,27,31)