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

Systemtic Name: 5-(carbamothioylamino)-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-5-(carbamothioylamino)triazole-4-carboxamide CAS Name: 5-(carbamothioylamino)-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-5-(carbamothioylamino)triazole-4-carboxamide Traditional Name: 1-benzyl-5-thioureido-triazole-4-carboxamide Formula: C11H12N6OS MolecularWeight: 276.31758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N6OS/c12-9(18)8-10(14-11(13)19)17(16-15-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,18)(H3,13,14,19)