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

Systemtic Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCCCNC2=O)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SC2CCCCNC2=O)C3CC3

InChI

InChI=1S/C14H20N4OS/c1-2-9-18-12(10-6-7-10)16-17-14(18)20-11-5-3-4-8-15-13(11)19/h2,10-11H,1,3-9H2,(H,15,19)