(3S)-3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3S)-3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3S)-3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C17H26N4OS MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCCCNC2=O)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H]2CCCCNC2=O)C3CCCCC3

InChI

InChI=1S/C17H26N4OS/c1-2-12-21-15(13-8-4-3-5-9-13)19-20-17(21)23-14-10-6-7-11-18-16(14)22/h2,13-14H,1,3-12H2,(H,18,22)/t14-/m0/s1