2-(1,3-diazepan-2-ylidene)-3-phenyl-3-sulfanylidene-propanenitrile

Systemtic Name: 2-(1,3-diazepan-2-ylidene)-3-phenyl-3-sulfanylidene-propanenitrile Openeye Name: 2-(1,3-diazepan-2-ylidene)-3-phenyl-3-thioxo-propanenitrile CAS Name: 2-(1,3-diazepan-2-ylidene)-3-phenyl-3-sulfanylidenepropanenitrile IUPAC Name: 2-(1,3-diazepan-2-ylidene)-3-phenyl-3-sulfanylidenepropanenitrile Traditional Name: 2-(1,3-diazepan-2-ylidene)-3-phenyl-3-thioxo-propionitrile Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=C(C#N)C(=S)C2=CC=CC=C2)NC1

Isomeric SMILES

C1CCNC(=C(C#N)C(=S)C2=CC=CC=C2)NC1

InChI

InChI=1S/C14H15N3S/c15-10-12(14-16-8-4-5-9-17-14)13(18)11-6-2-1-3-7-11/h1-3,6-7,16-17H,4-5,8-9H2