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

Systemtic Name: 1-tert-butyl-3-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiourea Openeye Name: 1-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-tert-butyl-thiourea Formula: C19H26N6OS2 MolecularWeight: 418.57934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C19H26N6OS2/c1-19(2,3)20-17(27)23-21-15(26)12-28-18-24-22-16(14-9-10-14)25(18)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,26)(H2,20,23,27)