5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-2,4-benzodiazepin-2-ium-7-carbonitrile

Systemtic Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-2,4-benzodiazepin-2-ium-7-carbonitrile Openeye Name: 5-(2-chlorophenyl)-2-thioxo-1,3-dihydro-2,4-benzodiazepin-2-ium-7-carbonitrile CAS Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-2,4-benzodiazepin-2-ium-7-carbonitrile IUPAC Name: 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydro-2,4-benzodiazepin-2-ium-7-carbonitrile Traditional Name: 5-(2-chlorophenyl)-2-thioxo-1,3-dihydro-2,4-benzodiazepin-2-ium-7-carbonitrile Formula: C16H11ClN3S+ MolecularWeight: 312.79664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C#N)C(=NC[N+]1=S)C3=CC=CC=C3Cl

Isomeric SMILES

C1C2=C(C=C(C=C2)C#N)C(=NC[N+]1=S)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H11ClN3S/c17-15-4-2-1-3-13(15)16-14-7-11(8-18)5-6-12(14)9-20(21)10-19-16/h1-7H,9-10H2/q+1