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

Systemtic Name: 1-[3-[(4-butoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3-[(4-butoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3-[(4-butoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3-[(4-butoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-[3-(4-butoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS2/c1-2-3-13-26-17-11-9-15(10-12-17)14-18-22-23-20(28)25(18)24-19(27)21-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,23,28)(H2,21,24,27)