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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

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