1-tert-butyl-3-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiourea Openeye Name: 1-[[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-tert-butyl-thiourea Formula: C17H24N6OS2 MolecularWeight: 392.54206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NNC(=S)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NNC(=S)NC(C)(C)C

InChI

InChI=1S/C17H24N6OS2/c1-12-19-22-16(23(12)10-13-8-6-5-7-9-13)26-11-14(24)20-21-15(25)18-17(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,24)(H2,18,21,25)