5-(cyclohexen-1-yl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 5-(cyclohexen-1-yl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-(cyclohexen-1-yl)-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 5-(1-cyclohexenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 5-(cyclohexen-1-yl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-(cyclohexen-1-yl)-2-thioxo-1,3-dihydro-1,4-benzodiazepine-7-carbonitrile Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=NCC(=S)NC3=C2C=C(C=C3)C#N

Isomeric SMILES

C1CCC(=CC1)C2=NCC(=S)NC3=C2C=C(C=C3)C#N

InChI

InChI=1S/C16H15N3S/c17-9-11-6-7-14-13(8-11)16(18-10-15(20)19-14)12-4-2-1-3-5-12/h4,6-8H,1-3,5,10H2,(H,19,20)