1-methyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea

Systemtic Name: 1-methyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea Openeye Name: 1-methyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiourea CAS Name: 1-methyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea IUPAC Name: 1-methyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea Traditional Name: 1-methyl-3-[3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiourea Formula: C12H15N5S2 MolecularWeight: 293.411

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=C(C2=C(S1)CCCC2)C3=NC=NN3

Isomeric SMILES

CNC(=S)NC1=C(C2=C(S1)CCCC2)C3=NC=NN3

InChI

InChI=1S/C12H15N5S2/c1-13-12(18)16-11-9(10-14-6-15-17-10)7-4-2-3-5-8(7)19-11/h6H,2-5H2,1H3,(H2,13,16,18)(H,14,15,17)