1-(4-methylphenyl)-3-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]urea

Systemtic Name: 1-(4-methylphenyl)-3-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]urea Openeye Name: 1-[[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]urea IUPAC Name: 1-(4-methylphenyl)-3-[[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]urea Traditional Name: 1-[[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-(p-tolyl)urea Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NNC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NNC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N6O2S/c1-3-13-27-19(16-7-5-4-6-8-16)24-26-21(27)30-14-18(28)23-25-20(29)22-17-11-9-15(2)10-12-17/h3-12H,1,13-14H2,2H3,(H,23,28)(H2,22,25,29)