1-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C17H10ClN5OS MolecularWeight: 367.8122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CN4C=NC(=N4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CN4C=NC(=N4)C#N

InChI

InChI=1S/C17H10ClN5OS/c18-11-5-6-15-13(7-11)23(12-3-1-2-4-14(12)25-15)17(24)9-22-10-20-16(8-19)21-22/h1-7,10H,9H2