1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea CAS Name: 1-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiourea Formula: C19H20N6OS2 MolecularWeight: 412.5317

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NNC(=S)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NNC(=S)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N6OS2/c1-25-17(15-10-6-3-7-11-15)22-24-19(25)28-13-16(26)21-23-18(27)20-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,21,26)(H2,20,23,27)