2-butylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine

Systemtic Name: 2-butylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine Openeye Name: 2-butylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine CAS Name: 2-(butylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine IUPAC Name: 2-butylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine Traditional Name: 2-(butylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine Formula: C9H18N2S MolecularWeight: 186.31762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NCCCCN1

Isomeric SMILES

CCCCSC1=NCCCCN1

InChI

InChI=1S/C9H18N2S/c1-2-3-8-12-9-10-6-4-5-7-11-9/h2-8H2,1H3,(H,10,11)