1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[3-[(4-methoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]urea CAS Name: 1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-propan-2-ylurea IUPAC Name: 1-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-(3-p-anisyl-5-thioxo-1H-1,2,4-triazol-4-yl)urea Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NN1C(=NNC1=S)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=O)NN1C(=NNC1=S)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H19N5O2S/c1-9(2)15-13(20)18-19-12(16-17-14(19)22)8-10-4-6-11(21-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,22)(H2,15,18,20)