3-[(4-chlorophenyl)-oxidanyl-amino]-6-[(4-methoxyphenyl)amino]-4-sulfanylidene-1H-1,2,5-triazepin-7-one

Systemtic Name: 3-[(4-chlorophenyl)-oxidanyl-amino]-6-[(4-methoxyphenyl)amino]-4-sulfanylidene-1H-1,2,5-triazepin-7-one Openeye Name: 3-(4-chloro-N-hydroxy-anilino)-6-(4-methoxyanilino)-4-thioxo-1H-1,2,5-triazepin-7-one CAS Name: 3-(4-chloro-N-hydroxyanilino)-6-(4-methoxyanilino)-4-sulfanylidene-1H-1,2,5-triazepin-7-one IUPAC Name: 3-(4-chloro-N-hydroxyanilino)-6-(4-methoxyanilino)-4-sulfanylidene-1H-1,2,5-triazepin-7-one Traditional Name: 3-(4-chloro-N-hydroxy-anilino)-6-(p-anisidino)-4-thioxo-1H-1,2,5-triazepin-7-one Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=S)C(=NNC2=O)N(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=S)C(=NNC2=O)N(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H14ClN5O3S/c1-26-13-8-4-11(5-9-13)19-14-16(24)22-21-15(17(27)20-14)23(25)12-6-2-10(18)3-7-12/h2-9,25H,1H3,(H2,19,20,22,24,27)