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

Systemtic Name: 1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiourea Openeye Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl]thiourea CAS Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl]thiourea IUPAC Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl]thiourea Traditional Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl]thiourea Formula: C10H11N5S MolecularWeight: 233.29284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)NC(=S)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)NC(=S)N

InChI

InChI=1S/C10H11N5S/c11-10(16)14-9-3-1-8(2-4-9)5-15-7-12-6-13-15/h1-4,6-7H,5H2,(H3,11,14,16)