1-[(E)-(3-imidazol-1-ylisoquinolin-1-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(3-imidazol-1-ylisoquinolin-1-yl)methylideneamino]thiourea Openeye Name: [(E)-(3-imidazol-1-yl-1-isoquinolyl)methyleneamino]thiourea CAS Name: [(E)-[3-(1-imidazolyl)-1-isoquinolinyl]methylideneamino]thiourea IUPAC Name: [(E)-(3-imidazol-1-ylisoquinolin-1-yl)methylideneamino]thiourea Traditional Name: [(E)-(3-imidazol-1-yl-1-isoquinolyl)methyleneamino]thiourea Formula: C14H12N6S MolecularWeight: 296.35028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2C=NNC(=S)N)N3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2/C=N/NC(=S)N)N3C=CN=C3

InChI

InChI=1S/C14H12N6S/c15-14(21)19-17-8-12-11-4-2-1-3-10(11)7-13(18-12)20-6-5-16-9-20/h1-9H,(H3,15,19,21)/b17-8+