2-[3-azanyl-4-[(4-bromophenyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[3-azanyl-4-[(4-bromophenyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[3-amino-4-(4-bromoanilino)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[3-amino-4-(4-bromoanilino)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[3-amino-4-(4-bromoanilino)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[3-amino-4-(4-bromoanilino)-5-thioxo-1,2,4-triazol-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C17H16BrN5O2S MolecularWeight: 434.31024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)N)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C(=S)N(C(=N2)N)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN5O2S/c1-25-14-8-2-11(3-9-14)15(24)10-22-17(26)23(16(19)21-22)20-13-6-4-12(18)5-7-13/h2-9,20H,10H2,1H3,(H2,19,21)