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

Systemtic Name: N-[[4-cyclohexyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[[(2R)-2-oxolanyl]methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[[(2R)-tetrahydrofuran-2-yl]methylthio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4CCCO4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SC[C@H]4CCCO4

InChI

InChI=1S/C21H30N4O2S/c1-26-18-10-5-7-16(13-18)22-14-20-23-24-21(28-15-19-11-6-12-27-19)25(20)17-8-3-2-4-9-17/h5,7,10,13,17,19,22H,2-4,6,8-9,11-12,14-15H2,1H3/t19-/m1/s1