1-[4-(1-hydroxyethyl)-5-(phenylcarbamothioylamino)-1,2,4-triazol-3-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-(1-hydroxyethyl)-5-(phenylcarbamothioylamino)-1,2,4-triazol-3-yl]-3-phenyl-thiourea Openeye Name: 1-[4-(1-hydroxyethyl)-5-(phenylcarbamothioylamino)-1,2,4-triazol-3-yl]-3-phenyl-thiourea CAS Name: 1-[5-[[anilino(sulfanylidene)methyl]amino]-4-(1-hydroxyethyl)-1,2,4-triazol-3-yl]-3-phenylthiourea IUPAC Name: 1-[4-(1-hydroxyethyl)-5-(phenylcarbamothioylamino)-1,2,4-triazol-3-yl]-3-phenylthiourea Traditional Name: 1-[4-(1-hydroxyethyl)-5-(phenylthiocarbamoylamino)-1,2,4-triazol-3-yl]-3-phenyl-thiourea Formula: C18H19N7OS2 MolecularWeight: 413.51976

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=NN=C1NC(=S)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3)O

Isomeric SMILES

CC(N1C(=NN=C1NC(=S)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3)O

InChI

InChI=1S/C18H19N7OS2/c1-12(26)25-15(21-17(27)19-13-8-4-2-5-9-13)23-24-16(25)22-18(28)20-14-10-6-3-7-11-14/h2-12,26H,1H3,(H2,19,21,23,27)(H2,20,22,24,28)