1-(phenylmethyl)-3-(1H-1,2,4-triazol-5-yl)thiourea

Systemtic Name: 1-(phenylmethyl)-3-(1H-1,2,4-triazol-5-yl)thiourea Openeye Name: 1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea CAS Name: 1-(phenylmethyl)-3-(1H-1,2,4-triazol-5-yl)thiourea IUPAC Name: 1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea Traditional Name: 1-benzyl-3-(1H-1,2,4-triazol-5-yl)thiourea Formula: C10H11N5S MolecularWeight: 233.29284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=NC=NN2

InChI

InChI=1S/C10H11N5S/c16-10(14-9-12-7-13-15-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13,14,15,16)