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

Systemtic Name: (3S)-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3S)-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3S)-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[(4-allyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SC2CCCCNC2=O

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4OS/c1-2-7-15-8-13-14-11(15)17-9-5-3-4-6-12-10(9)16/h2,8-9H,1,3-7H2,(H,12,16)/t9-/m0/s1