2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C29H23N7O2S MolecularWeight: 533.60362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H23N7O2S/c37-28(30-21-15-17-24(18-16-21)38-23-11-5-2-6-12-23)20-35-29(39)36(22-9-3-1-4-10-22)27(32-35)19-34-26-14-8-7-13-25(26)31-33-34/h1-18H,19-20H2,(H,30,37)