1-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-phenyl-thiourea

Systemtic Name: 1-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-phenyl-thiourea Openeye Name: 1-phenyl-3-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]thiourea CAS Name: 1-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-phenylthiourea IUPAC Name: 1-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-phenylthiourea Traditional Name: 1-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-3-phenyl-thiourea Formula: C17H17N5S MolecularWeight: 323.41538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N5S/c1-13-7-9-14(10-8-13)11-22-12-18-16(21-22)20-17(23)19-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H2,19,20,21,23)