1-(4-butylphenyl)-3-(1,2,4-triazol-4-yl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(1,2,4-triazol-4-yl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(1,2,4-triazol-4-yl)thiourea CAS Name: 1-(4-butylphenyl)-3-(1,2,4-triazol-4-yl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(1,2,4-triazol-4-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(1,2,4-triazol-4-yl)thiourea Formula: C13H17N5S MolecularWeight: 275.37258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NN2C=NN=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NN2C=NN=C2

InChI

InChI=1S/C13H17N5S/c1-2-3-4-11-5-7-12(8-6-11)16-13(19)17-18-9-14-15-10-18/h5-10H,2-4H2,1H3,(H2,16,17,19)