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

Systemtic Name: 1-[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-phenyl-thiourea Formula: C27H28N6OS2 MolecularWeight: 516.68082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NNC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N6OS2/c1-27(2,3)20-16-14-19(15-17-20)24-30-32-26(33(24)22-12-8-5-9-13-22)36-18-23(34)29-31-25(35)28-21-10-6-4-7-11-21/h4-17H,18H2,1-3H3,(H,29,34)(H2,28,31,35)