1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea CAS Name: 1-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiourea Formula: C18H20N6OS3 MolecularWeight: 432.586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NNC(=S)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NNC(=S)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H20N6OS3/c1-2-24-16(14-9-6-10-27-14)21-23-18(24)28-12-15(25)20-22-17(26)19-11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,20,25)(H2,19,22,26)