1,8-bis(azanyl)-6-phenyl-3-sulfanylidene-7H-isoquinoline-4,7-dicarbonitrile

Systemtic Name: 1,8-bis(azanyl)-6-phenyl-3-sulfanylidene-7H-isoquinoline-4,7-dicarbonitrile Openeye Name: 1,8-diamino-6-phenyl-3-thioxo-7H-isoquinoline-4,7-dicarbonitrile CAS Name: 1,8-diamino-6-phenyl-3-sulfanylidene-7H-isoquinoline-4,7-dicarbonitrile IUPAC Name: 1,8-diamino-6-phenyl-3-sulfanylidene-7H-isoquinoline-4,7-dicarbonitrile Traditional Name: 1,8-diamino-6-phenyl-3-thioxo-7H-isoquinoline-4,7-dicarbonitrile Formula: C17H11N5S MolecularWeight: 317.36774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C(=S)N=C(C3=C(C2C#N)N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C(=S)N=C(C3=C(C2C#N)N)N)C#N

InChI

InChI=1S/C17H11N5S/c18-7-12-10(9-4-2-1-3-5-9)6-11-13(8-19)17(23)22-16(21)14(11)15(12)20/h1-6,12H,20H2,(H2,21,22,23)