5-(3,5-dimethylphenyl)sulfanyl-3-propan-2-yl-2,5-diazabicyclo[2.1.0]pent-3-ene; pentan-1-ol

Systemtic Name: 5-(3,5-dimethylphenyl)sulfanyl-3-propan-2-yl-2,5-diazabicyclo[2.1.0]pent-3-ene; pentan-1-ol Openeye Name: 5-(3,5-dimethylphenyl)sulfanyl-3-isopropyl-2,5-diazabicyclo[2.1.0]pent-3-ene; pentan-1-ol CAS Name: 5-[(3,5-dimethylphenyl)thio]-3-propan-2-yl-2,5-diazabicyclo[2.1.0]pent-3-ene; 1-pentanol IUPAC Name: 5-(3,5-dimethylphenyl)sulfanyl-3-propan-2-yl-2,5-diazabicyclo[2.1.0]pent-3-ene; pentan-1-ol Traditional Name: 5-[(3,5-dimethylphenyl)thio]-3-isopropyl-2,5-diazabicyclo[2.1.0]pent-3-ene; pentan-1-ol Formula: C19H30N2OS MolecularWeight: 334.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCO.CC1=CC(=CC(=C1)SN2C3C2=C(N3)C(C)C)C

Isomeric SMILES

CCCCCO.CC1=CC(=CC(=C1)SN2C3C2=C(N3)C(C)C)C

InChI

InChI=1S/C14H18N2S.C5H12O/c1-8(2)12-13-14(15-12)16(13)17-11-6-9(3)5-10(4)7-11;1-2-3-4-5-6/h5-8,14-15H,1-4H3;6H,2-5H2,1H3