[4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H28N4OS/c1-16-22-23-21(25(16)19-7-3-2-4-8-19)27-15-17-9-11-18(12-10-17)20(26)24-13-5-6-14-24/h9-12,19H,2-8,13-15H2,1H3