1-(4-methylphenyl)sulfonyl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea Openeye Name: 1-(p-tolylsulfonyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea Traditional Name: 1-tosyl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H17N5O3S/c1-13-2-8-16(9-3-13)26(24,25)21-17(23)20-15-6-4-14(5-7-15)10-22-12-18-11-19-22/h2-9,11-12H,10H2,1H3,(H2,20,21,23)