N-[[4-cyclohexyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[4-cyclohexyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[(3-methylisoxazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[(3-methyl-5-isoxazolyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[(3-methylisoxazol-5-yl)methylthio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NOC(=C1)CSC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

InChI

InChI=1S/C21H27N5O2S/c1-15-11-19(28-25-15)14-29-21-24-23-20(26(21)17-8-4-3-5-9-17)13-22-16-7-6-10-18(12-16)27-2/h6-7,10-12,17,22H,3-5,8-9,13-14H2,1-2H3