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

Systemtic Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3-[(4-ethoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-[3-(4-ethoxybenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=S)N2NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS2/c1-2-24-15-10-8-13(9-11-15)12-16-20-21-18(26)23(16)22-17(25)19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,21,26)(H2,19,22,25)