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

Systemtic Name: 1-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-phenyl-thiourea Openeye Name: 1-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-phenyl-thiourea CAS Name: 1-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-phenylthiourea IUPAC Name: 1-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-phenylthiourea Traditional Name: 1-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-1-phenyl-thiourea Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NN(C2=CC=CC=C2)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NN(C2=CC=CC=C2)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6OS2/c1-23-16(13-8-4-2-5-9-13)20-21-18(23)27-12-15(25)22-24(17(19)26)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,19,26)(H,22,25)