[6-azanylidene-5-(benzotriazol-1-yl)-1-phenyl-pyridazin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [6-azanylidene-5-(benzotriazol-1-yl)-1-phenyl-pyridazin-3-yl]-thiophen-2-yl-methanone Openeye Name: [5-(benzotriazol-1-yl)-6-imino-1-phenyl-pyridazin-3-yl]-(2-thienyl)methanone CAS Name: [5-(1-benzotriazolyl)-6-imino-1-phenyl-3-pyridazinyl]-thiophen-2-ylmethanone IUPAC Name: [5-(benzotriazol-1-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone Traditional Name: [5-(benzotriazol-1-yl)-6-imino-1-phenyl-pyridazin-3-yl]-(2-thienyl)methanone Formula: C21H14N6OS MolecularWeight: 398.44046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=N)C(=CC(=N2)C(=O)C3=CC=CS3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=N)C(=CC(=N2)C(=O)C3=CC=CS3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H14N6OS/c22-21-18(27-17-10-5-4-9-15(17)23-25-27)13-16(20(28)19-11-6-12-29-19)24-26(21)14-7-2-1-3-8-14/h1-13,22H