1-(3-methoxyphenyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]thiourea Formula: C18H18N6O2S MolecularWeight: 382.43952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H18N6O2S/c1-26-16-4-2-3-15(9-16)21-18(27)23-22-17(25)14-7-5-13(6-8-14)10-24-12-19-11-20-24/h2-9,11-12H,10H2,1H3,(H,22,25)(H2,21,23,27)