1-butyl-3-[4-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Openeye Name: 1-butyl-3-[4-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea CAS Name: 1-butyl-3-[4-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea IUPAC Name: 1-butyl-3-[4-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Traditional Name: 1-butyl-3-[4-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea Formula: C17H25N5S2 MolecularWeight: 363.5439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2CCCC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2CCCC

InChI

InChI=1S/C17H25N5S2/c1-3-5-11-18-16(23)19-14-9-7-13(8-10-14)15-20-21-17(24)22(15)12-6-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,21,24)(H2,18,19,23)