2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-(4-bromophenyl)ethanone Formula: C23H17BrN6OS MolecularWeight: 505.38968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)C3=CC=C(C=C3)Br)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)C3=CC=C(C=C3)Br)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H17BrN6OS/c24-17-12-10-16(11-13-17)21(31)14-29-23(32)30(18-6-2-1-3-7-18)22(26-29)15-28-20-9-5-4-8-19(20)25-27-28/h1-13H,14-15H2