5-(phenylcarbonylcarbamothioylamino)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-(phenylcarbonylcarbamothioylamino)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-(benzoylcarbamothioylamino)-1-benzyl-triazole-4-carboxamide CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 5-(benzoylcarbamothioylamino)-1-benzyltriazole-4-carboxamide Traditional Name: 5-(benzoylthiocarbamoylamino)-1-benzyl-triazole-4-carboxamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N6O2S/c19-15(25)14-16(24(23-22-14)11-12-7-3-1-4-8-12)20-18(27)21-17(26)13-9-5-2-6-10-13/h1-10H,11H2,(H2,19,25)(H2,20,21,26,27)